1QXN
 
 | | Solution Structure of the 30 kDa Polysulfide-sulfur Transferase Homodimer from Wolinella Succinogenes | | Descriptor: | PENTASULFIDE-SULFUR, sulfide dehydrogenase | | Authors: | Lin, Y.J, Dancea, F, Loehr, F, Klimmek, O, Pfeiffer-Marek, S, Nilges, M, Wienk, H, Kroeger, A, Rueterjans, H. | | Deposit date: | 2003-09-08 | | Release date: | 2004-02-24 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the 30 kDa Polysulfide-Sulfur Transferase Homodimer from Wolinella succinogenes
Biochemistry, 43, 2004
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3OS2
 | | PFV target capture complex (TCC) at 3.32 A resolution | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates
Nature, 468, 2010
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3OS0
 | | PFV strand transfer complex (STC) at 2.81 A resolution | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*G*GP*CP*AP*CP*GP*TP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates
Nature, 468, 2010
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2R80
 | | Pigeon Hemoglobin (OXY form) | | Descriptor: | Hemoglobin subunit alpha-A, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | Authors: | Ponnuswamy, M.N, Packianathan, C, Sundaresan, S, Neelagandan, K, Palani, K, Muller, J.J, Heinemann, U. | | Deposit date: | 2007-09-10 | | Release date: | 2008-09-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | X-ray crystal structure analysis of Hemolgobin from Pigeon (Columba Livia) at 1.44 angstrom
To be Published
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3OS1
 | | PFV target capture complex (TCC) at 2.97 A resolution | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*(2DA))-3'), ... | | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates
Nature, 468, 2010
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2JA3
 | | Cytoplasmic Domain of the Human Chloride Transporter ClC-5 in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE CHANNEL PROTEIN 5 | | Authors: | Meyer, S, Savaresi, S, Forster, I.C, Dutzler, R. | | Deposit date: | 2006-11-21 | | Release date: | 2007-01-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Nucleotide Recognition by the Cytoplasmic Domain of the Human Chloride Transporter Clc-5
Nat.Struct.Mol.Biol., 14, 2006
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4D73
 | | X-ray structure of a peroxiredoxin | | Descriptor: | 1-CYS PEROXIREDOXIN | | Authors: | Staudacher, V, Djuika, C.F, Koduka, J, Schlossarek, S, Kopp, J, Buechler, M, Lanzer, M, Deponte, M. | | Deposit date: | 2014-11-19 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Plasmodium Falciparum Antioxidant Protein Reveals a Novel Mechanism for Balancing Turnover and Inactivation of Peroxiredoxins
Free Radic.Biol.Med., 85, 2015
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4KZB
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) | | Descriptor: | Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ4
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid) | | Descriptor: | 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ8
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione) | | Descriptor: | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.282 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4DJH
 | | Structure of the human kappa opioid receptor in complex with JDTic | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CITRIC ACID, ... | | Authors: | Wu, H, Wacker, D, Katritch, V, Mileni, M, Han, G.W, Vardy, E, Liu, W, Thompson, A.A, Huang, X.P, Carroll, F.I, Mascarella, S.W, Westkaemper, R.B, Mosier, P.D, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2012-02-01 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | tructure of the human kappa-opioid receptor in complex with JDTic
Nature, 485, 2012
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4KZ6
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 13 ((2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid) | | Descriptor: | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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1ESO
 | | MONOMERIC CU,ZN SUPEROXIDE DISMUTASE FROM ESCHERICHIA COLI | | Descriptor: | COPPER (II) ION, CU, ZN SUPEROXIDE DISMUTASE, ... | | Authors: | Pesce, A, Capasso, C, Battistoni, A, Folcarelli, S, Rotilio, G, Desideri, A, Bolognesi, M. | | Deposit date: | 1997-06-27 | | Release date: | 1998-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unique structural features of the monomeric Cu,Zn superoxide dismutase from Escherichia coli, revealed by X-ray crystallography.
J.Mol.Biol., 274, 1997
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1WT7
 | | Solution structure of BuTX-MTX: a butantoxin-maurotoxin chimera | | Descriptor: | BuTX-MTX | | Authors: | M'Barek, S, Chagot, B, Andreotti, N, Visan, V, Mansuelle, P, Grissmer, S, Marrakchi, M, El Ayeb, M, Sampieri, F, Darbon, H, Fajloun, Z, De Waard, M, Sabatier, J.-M. | | Deposit date: | 2004-11-16 | | Release date: | 2004-11-30 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Increasing the molecular contacts between maurotoxin and Kv1.2 channel augments ligand affinity.
Proteins, 60, 2005
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1R55
 | | Crystal structure of the catalytic domain of human ADAM 33 | | Descriptor: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAM 33, CALCIUM ION, ... | | Authors: | Orth, P, Reichert, P, Wang, W, Prosise, W.W, Yarosh-Tomaine, T, Hammond, G, Xiao, L, Mirza, U.A, Zou, J, Strickland, C, Taremi, S.S, Le, H.V, Madison, V. | | Deposit date: | 2003-10-09 | | Release date: | 2004-10-12 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structre of the catalytic domain of human ADAM33
J.Mol.Biol., 335, 2004
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3EPV
 | | X-ray Structure of the Metal-sensor CnrX in both the Apo- and Copper-bound Forms | | Descriptor: | COPPER (II) ION, Nickel and cobalt resistance protein cnrR | | Authors: | Pompidor, G, Maillard, A.P, Girard, E, Gambarelli, S, Kahn, R, Coves, J. | | Deposit date: | 2008-09-30 | | Release date: | 2008-11-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.742 Å) | | Cite: | X-ray structure of the metal-sensor CnrX in both the apo- and copper-bound forms.
Febs Lett., 2008
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2IX5
 | | Short chain specific acyl-CoA oxidase from Arabidopsis thaliana, ACX4 in complex with acetoacetyl-CoA | | Descriptor: | ACETOACETYL-COENZYME A, ACYL-COENZYME A OXIDASE 4, PEROXISOMAL, ... | | Authors: | Mackenzie, J, Pedersen, L, Arent, S, Henriksen, A. | | Deposit date: | 2006-07-07 | | Release date: | 2006-08-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Controlling Electron Transfer in Acyl-Coa Oxidases and Dehydrogenases: A Structural View.
J.Biol.Chem., 281, 2006
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1YNK
 | | Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeteners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647 | | Descriptor: | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL, Ig gamma heavy chain, immunoglobulin kappa light chain | | Authors: | Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B. | | Deposit date: | 2005-01-24 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
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1R54
 | | Crystal structure of the catalytic domain of human ADAM33 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADAM 33, CALCIUM ION, ... | | Authors: | Orth, P, Reicher, P, Wang, W, Prosise, W.W, Yarosh-Tomaine, T, Hammond, G, Xiao, L, Mirza, U.A, Zou, J, Strickland, C, Taremi, S.S. | | Deposit date: | 2003-10-09 | | Release date: | 2004-10-12 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structre of the catalytic domain of human ADAM33
J.Mol.Biol., 335, 2004
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2IX6
 | | SHORT CHAIN SPECIFIC ACYL-COA OXIDASE FROM ARABIDOPSIS THALIANA, ACX4 | | Descriptor: | ACYL-COENZYME A OXIDASE 4, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Mackenzie, J, Pedersen, L, Arent, S, Henriksen, A. | | Deposit date: | 2006-07-07 | | Release date: | 2006-08-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Controlling Electron Transfer in Acyl-Coa Oxidases and Dehydrogenases: A Structural View.
J.Biol.Chem., 281, 2006
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1KVH
 | | NCSi-gb-bulge-DNA complex induced formation of a DNA bulge structure by a molecular wedge ligand-post-activated neocarzinostatin chromophore | | Descriptor: | 5'-D(*CP*CP*CP*GP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*TP*TP*CP*GP*GP*G)-3', SPIRO[[7-METHOXY-5-METHYL-1,2-DIHYDRO-NAPHTHALENE]-3,1'-[5-HYDROXY-9-[2-METHYLAMINO-2,6-DIDEOXYGALACTOPYRANOSYL-OXY]-5-(2-OXO-[1,3]DIOXOLAN-4-YL)-3A,5,9,9A-TETRAHYDRO-3H-1-OXA-CYCLOPENTA[A]-S-INDACEN-2-ONE]] | | Authors: | Gao, X, Stassinopoulos, A, Ji, J, Kwon, Y, Bare, S, Goldberg, I.H. | | Deposit date: | 2002-01-26 | | Release date: | 2002-06-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Induced formation of a DNA bulge structure by a molecular wedge ligand-postactivated neocarzinostatin chromophore.
Biochemistry, 41, 2002
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4KZ9
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) | | Descriptor: | (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ5
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine) | | Descriptor: | Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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1HXD
 | | CRYSTAL STRUCTURE OF E. COLI BIOTIN REPRESSOR WITH BOUND BIOTIN | | Descriptor: | BIOTIN, BIRA BIFUNCTIONAL PROTEIN | | Authors: | Kwon, K, Streaker, E.D, Ruparelia, S, Beckett, D. | | Deposit date: | 2001-01-12 | | Release date: | 2001-05-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Corepressor-induced organization and assembly of the biotin repressor: a model for allosteric activation of a transcriptional regulator.
Proc.Natl.Acad.Sci.USA, 98, 2001
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4KZ3
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | | Descriptor: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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